(2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one

C14H16O — CID 45096682

IUPAC(2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
SMILESC=CC[C@]1(C)CCc2ccccc2C1=O
InChIInChI=1S/C14H16O/c1-3-9-14(2)10-8-11-6-4-5-7-12(11)13(14)15/h3-7H,1,8-10H2,2H3/t14-/m1/s1
InChIKeyIVXHCJJKRTYDHR-CQSZACIVSA-N
MW200.28 g/mol
LogP3.40
Rot. Bonds2

About (2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one

(2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one (PubChem CID 45096682) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
PubChem CID45096682
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
SMILESC=CC[C@]1(C)CCc2ccccc2C1=O
InChIInChI=1S/C14H16O/c1-3-9-14(2)10-8-11-6-4-5-7-12(11)13(14)15/h3-7H,1,8-10H2,2H3/t14-/m1/s1
InChIKeyIVXHCJJKRTYDHR-CQSZACIVSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxymethyl)-2-methyl-3,4-dihydronaphthalen-1-one
CID 11344499
(2R)-2-hydroxy-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 100988945
3-methyl-3-prop-2-enyl-1,2-dihydroindene
CID 85427456
2-pent-4-enyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 162736648
3-methyl-3-prop-2-enylcyclohexane-1,2-dione
CID 13156859
4-[(2S)-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalen-2-yl]butanoic acid
CID 155321803
2-(2-methyl-3-oxo-1H-inden-2-yl)acetonitrile
CID 122218044
(2R)-2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one
CID 14120941
2-(2,2-dimethylpropyl)-2-methyl-3H-inden-1-one
CID 141404738
2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-methyl-3,4-dihydronaphthalen-1-one
CID 21444520
(2S)-2-ethyl-2-fluoro-3,4-dihydronaphthalen-1-one
CID 10774110
ethyl 4-oxo-3-prop-2-enyl-1H-isothiochromene-3-carboxylate
CID 102421373

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one (CID 45096682) is (2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one is C=CC[C@]1(C)CCc2ccccc2C1=O.
What is the InChIKey of (2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one?
The InChIKey is IVXHCJJKRTYDHR-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16O/c1-3-9-14(2)10-8-11-6-4-5-7-12(11)13(14)15/h3-7H,1,8-10H2,2H3/t14-/m1/s1.
What are the key properties of (2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one?
(2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one has a molecular weight of 200.28 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 45096682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).